Potential energy landscape of a coarse grained model for water: ML-BOP

A Neophytou, F Sciortino - The Journal of Chemical Physics, 2024 - pubs.aip.org
We quantify the statistical properties of the potential energy landscape for a recently
proposed machine learning coarse grained model for water, machine learning-bond-order …

Theoretical investigation on the solid–liquid phase transition of gallium through free energy analysis

A Debnath, CK Das - Journal of Molecular Modeling, 2024 - Springer
Context Gallium, renowned for its notably low melting point and unique property of
becoming liquid at room temperature, is a valuable constituent in phase change materials. In …